IUPAC name
N-[[4-(dipropylamino)-3,5-dinitrophenyl]sulfonyl]-S,S-dimethylsulfilimine
SMILES
CCCN(CCC)c1c(cc(cc1N(=O)=O)S(=O)(=O)N=S(C)C)N(=O)=O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
prosulfalin
IUPAC name
N-[[4-(dipropylamino)-3,5-dinitrophenyl]sulfonyl]-S,S-dimethylsulfilimine
SMILES
CCCN(CCC)c1c(cc(cc1N(=O)=O)S(=O)(=O)N=S(C)C)N(=O)=O
INCHI
InChI=1S/C14H22N4O6S2/c1-5-7-16(8-6-2)14-12(17(19)20)9-11(10-13(14)18(21)22)26(23,24)15-25(3)4/h9-10H,5-8H2,1-4H3
FORMULA
C14H22N4O6S2
Common name
prosulfalin
IUPAC name
N-[[4-(dipropylamino)-3,5-dinitrophenyl]sulfonyl]-S,S-dimethylsulfilimine
Molecular weight
406.478
clogP
-0.455
clogS
-4.322
HBond Acceptor
9
HBond Donor
0
Total Polar Surface Area
137.23
Number of Rings
1
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00069 | N-methylpropan-1-amine |
|
N(CCC)C | 0.0148 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF06441 | [[(dihydroxy-λ3-sulfanyl)amino]-methyl-λ3-sulfanyl]methane |
|
N([S](C)C)[S](O)O | 0.0003 |
| FDBF06442 | [amino(methyl)-λ3-sulfanyl]methane |
|
N[S](C)C | 0.0003 |
7 ,
1
